USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 421 LYS NZ :NH3+ -120:sc= -0.332 (180deg=-5.29!) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN : amide:sc= -2.68! C(o=-2.7!,f=-1.6!) USER MOD Single : A 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.0356 K(o=-0.036,f=-1.1) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= -0.85 K(o=-0.85,f=0) USER MOD Single : A 437 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 THR OG1 : rot 108:sc= -1.11 USER MOD Single : A 443 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0452) USER MOD Single : A 445 MET CE :methyl -157:sc= -0.0877 (180deg=-0.494) USER MOD Single : A 446 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.069) USER MOD Single : A 447 HIS : no HD1:sc= -13.5! C(o=-13!,f=-11!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -4.96 K(o=-5,f=-11!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 156:sc= -1.38 (180deg=-3.56!) USER MOD Single : A 462 THR OG1 : rot 180:sc= -0.999 USER MOD Single : A 466 CYS SG : rot 72:sc= -0.609 USER MOD Single : A 469 TYR OH : rot 60:sc= -2.82! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -0.245 -4.685 8.723 1.00 10.00 N ATOM 112 CA LYS A 421 -1.064 -4.778 7.517 1.00 10.00 C ATOM 113 C LYS A 421 -0.211 -5.039 6.291 1.00 10.00 C ATOM 114 O LYS A 421 0.406 -4.128 5.744 1.00 10.00 O ATOM 115 CB LYS A 421 -1.881 -3.514 7.306 1.00 10.00 C ATOM 116 CG LYS A 421 -3.065 -3.733 6.384 1.00 10.00 C ATOM 117 CD LYS A 421 -2.634 -4.210 5.005 1.00 10.00 C ATOM 118 CE LYS A 421 -3.738 -4.015 3.976 1.00 10.00 C ATOM 119 NZ LYS A 421 -4.171 -5.304 3.368 1.00 10.00 N ATOM 0 HA LYS A 421 -1.744 -5.618 7.659 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -2.238 -3.151 8.270 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.240 -2.737 6.890 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -3.738 -4.467 6.827 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -3.626 -2.803 6.287 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -1.744 -3.665 4.692 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -2.362 -5.264 5.052 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -4.593 -3.533 4.449 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -3.388 -3.344 3.192 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -4.014 -5.273 2.340 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -3.620 -6.084 3.779 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -5.182 -5.456 3.559 1.00 10.00 H new ATOM 133 N VAL A 422 -0.194 -6.292 5.866 1.00 10.00 N ATOM 134 CA VAL A 422 0.572 -6.699 4.706 1.00 10.00 C ATOM 135 C VAL A 422 0.428 -8.201 4.490 1.00 10.00 C ATOM 136 O VAL A 422 0.204 -8.675 3.380 1.00 10.00 O ATOM 137 CB VAL A 422 2.052 -6.304 4.869 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.798 -7.294 5.756 1.00 10.00 C ATOM 139 CG2 VAL A 422 2.725 -6.169 3.513 1.00 10.00 C ATOM 0 H VAL A 422 -0.709 -7.050 6.315 1.00 10.00 H new ATOM 0 HA VAL A 422 0.184 -6.184 3.827 1.00 10.00 H new ATOM 0 HB VAL A 422 2.086 -5.333 5.363 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.839 -6.985 5.850 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.336 -7.318 6.743 1.00 10.00 H new ATOM 0 HG13 VAL A 422 2.753 -8.288 5.310 1.00 10.00 H new ATOM 0 HG21 VAL A 422 3.769 -5.889 3.651 1.00 10.00 H new ATOM 0 HG22 VAL A 422 2.671 -7.120 2.984 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.218 -5.400 2.930 1.00 10.00 H new ATOM 149 N TYR A 423 0.531 -8.922 5.592 1.00 10.00 N ATOM 150 CA TYR A 423 0.384 -10.371 5.629 1.00 10.00 C ATOM 151 C TYR A 423 -0.835 -10.817 4.820 1.00 10.00 C ATOM 152 O TYR A 423 -0.822 -11.875 4.192 1.00 10.00 O ATOM 153 CB TYR A 423 0.219 -10.808 7.092 1.00 10.00 C ATOM 154 CG TYR A 423 -0.859 -10.022 7.813 1.00 10.00 C ATOM 155 CD1 TYR A 423 -0.719 -8.658 7.999 1.00 10.00 C ATOM 156 CD2 TYR A 423 -2.018 -10.627 8.281 1.00 10.00 C ATOM 157 CE1 TYR A 423 -1.677 -7.911 8.620 1.00 10.00 C ATOM 158 CE2 TYR A 423 -2.998 -9.883 8.917 1.00 10.00 C ATOM 159 CZ TYR A 423 -2.823 -8.522 9.084 1.00 10.00 C ATOM 160 OH TYR A 423 -3.794 -7.776 9.712 1.00 10.00 O ATOM 0 H TYR A 423 0.723 -8.511 6.506 1.00 10.00 H new ATOM 0 HA TYR A 423 1.269 -10.832 5.190 1.00 10.00 H new ATOM 0 HB2 TYR A 423 -0.026 -11.870 7.126 1.00 10.00 H new ATOM 0 HB3 TYR A 423 1.167 -10.683 7.615 1.00 10.00 H new ATOM 0 HD1 TYR A 423 0.176 -8.170 7.642 1.00 10.00 H new ATOM 0 HD2 TYR A 423 -2.157 -11.690 8.148 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -1.539 -6.848 8.747 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -3.894 -10.364 9.281 1.00 10.00 H new ATOM 0 HH TYR A 423 -4.536 -8.360 9.976 1.00 10.00 H new ATOM 170 N LYS A 424 -1.887 -10.001 4.849 1.00 10.00 N ATOM 171 CA LYS A 424 -3.118 -10.312 4.125 1.00 10.00 C ATOM 172 C LYS A 424 -3.115 -9.702 2.725 1.00 10.00 C ATOM 173 O LYS A 424 -4.132 -9.717 2.031 1.00 10.00 O ATOM 174 CB LYS A 424 -4.328 -9.802 4.907 1.00 10.00 C ATOM 175 CG LYS A 424 -4.746 -10.715 6.048 1.00 10.00 C ATOM 176 CD LYS A 424 -5.561 -11.896 5.547 1.00 10.00 C ATOM 177 CE LYS A 424 -6.691 -12.241 6.503 1.00 10.00 C ATOM 178 NZ LYS A 424 -8.000 -11.712 6.030 1.00 10.00 N ATOM 0 H LYS A 424 -1.912 -9.121 5.365 1.00 10.00 H new ATOM 0 HA LYS A 424 -3.178 -11.395 4.022 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -4.100 -8.814 5.308 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -5.168 -9.682 4.223 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -3.860 -11.078 6.568 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -5.331 -10.149 6.773 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.973 -11.664 4.565 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -4.910 -12.762 5.424 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -6.755 -13.324 6.613 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -6.470 -11.833 7.489 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -8.744 -11.969 6.710 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -7.947 -10.677 5.949 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -8.224 -12.121 5.100 1.00 10.00 H new ATOM 192 N ASP A 425 -1.971 -9.167 2.316 1.00 10.00 N ATOM 193 CA ASP A 425 -1.839 -8.553 1.000 1.00 10.00 C ATOM 194 C ASP A 425 -0.427 -8.731 0.453 1.00 10.00 C ATOM 195 O ASP A 425 0.099 -7.855 -0.231 1.00 10.00 O ATOM 196 CB ASP A 425 -2.195 -7.064 1.056 1.00 10.00 C ATOM 197 CG ASP A 425 -1.708 -6.384 2.320 1.00 10.00 C ATOM 198 OD1 ASP A 425 -2.025 -6.878 3.423 1.00 10.00 O ATOM 199 OD2 ASP A 425 -1.012 -5.353 2.207 1.00 10.00 O ATOM 0 H ASP A 425 -1.120 -9.146 2.878 1.00 10.00 H new ATOM 0 HA ASP A 425 -2.536 -9.055 0.329 1.00 10.00 H new ATOM 0 HB2 ASP A 425 -1.764 -6.561 0.191 1.00 10.00 H new ATOM 0 HB3 ASP A 425 -3.277 -6.952 0.984 1.00 10.00 H new ATOM 204 N ARG A 426 0.178 -9.876 0.744 1.00 10.00 N ATOM 205 CA ARG A 426 1.521 -10.169 0.259 1.00 10.00 C ATOM 206 C ARG A 426 1.487 -10.490 -1.232 1.00 10.00 C ATOM 207 O ARG A 426 2.516 -10.474 -1.906 1.00 10.00 O ATOM 208 CB ARG A 426 2.131 -11.336 1.037 1.00 10.00 C ATOM 209 CG ARG A 426 3.607 -11.558 0.745 1.00 10.00 C ATOM 210 CD ARG A 426 3.956 -13.038 0.733 1.00 10.00 C ATOM 211 NE ARG A 426 5.282 -13.293 1.290 1.00 10.00 N ATOM 212 CZ ARG A 426 6.418 -12.969 0.677 1.00 10.00 C ATOM 213 NH1 ARG A 426 6.395 -12.377 -0.511 1.00 10.00 N ATOM 214 NH2 ARG A 426 7.582 -13.238 1.253 1.00 10.00 N ATOM 0 H ARG A 426 -0.238 -10.614 1.311 1.00 10.00 H new ATOM 0 HA ARG A 426 2.143 -9.287 0.414 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.004 -11.156 2.104 1.00 10.00 H new ATOM 0 HB3 ARG A 426 1.581 -12.247 0.799 1.00 10.00 H new ATOM 0 HG2 ARG A 426 3.859 -11.116 -0.219 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.209 -11.047 1.497 1.00 10.00 H new ATOM 0 HD2 ARG A 426 3.210 -13.591 1.305 1.00 10.00 H new ATOM 0 HD3 ARG A 426 3.915 -13.412 -0.290 1.00 10.00 H new ATOM 0 HE ARG A 426 5.341 -13.746 2.202 1.00 10.00 H new ATOM 0 HH11 ARG A 426 5.503 -12.168 -0.959 1.00 10.00 H new ATOM 0 HH12 ARG A 426 7.269 -12.131 -0.975 1.00 10.00 H new ATOM 0 HH21 ARG A 426 7.606 -13.693 2.166 1.00 10.00 H new ATOM 0 HH22 ARG A 426 8.453 -12.990 0.783 1.00 10.00 H new ATOM 228 N GLN A 427 0.289 -10.760 -1.741 1.00 10.00 N ATOM 229 CA GLN A 427 0.105 -11.059 -3.154 1.00 10.00 C ATOM 230 C GLN A 427 -0.485 -9.849 -3.863 1.00 10.00 C ATOM 231 O GLN A 427 -1.148 -9.965 -4.893 1.00 10.00 O ATOM 232 CB GLN A 427 -0.792 -12.292 -3.346 1.00 10.00 C ATOM 233 CG GLN A 427 -1.660 -12.629 -2.139 1.00 10.00 C ATOM 234 CD GLN A 427 -0.860 -13.189 -0.975 1.00 10.00 C ATOM 235 OE1 GLN A 427 -0.156 -14.189 -1.116 1.00 10.00 O ATOM 236 NE2 GLN A 427 -0.968 -12.545 0.184 1.00 10.00 N ATOM 0 H GLN A 427 -0.571 -10.777 -1.192 1.00 10.00 H new ATOM 0 HA GLN A 427 1.077 -11.287 -3.591 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.438 -12.127 -4.209 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -0.163 -13.152 -3.578 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -2.186 -11.731 -1.814 1.00 10.00 H new ATOM 0 HG3 GLN A 427 -2.419 -13.354 -2.434 1.00 10.00 H new ATOM 0 HE21 GLN A 427 -1.563 -11.720 0.255 1.00 10.00 H new ATOM 0 HE22 GLN A 427 -0.455 -12.876 1.001 1.00 10.00 H new ATOM 245 N VAL A 428 -0.210 -8.685 -3.292 1.00 10.00 N ATOM 246 CA VAL A 428 -0.671 -7.416 -3.832 1.00 10.00 C ATOM 247 C VAL A 428 0.479 -6.708 -4.523 1.00 10.00 C ATOM 248 O VAL A 428 0.284 -6.008 -5.516 1.00 10.00 O ATOM 249 CB VAL A 428 -1.241 -6.517 -2.721 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.178 -5.046 -3.107 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.666 -6.932 -2.385 1.00 10.00 C ATOM 0 H VAL A 428 0.341 -8.595 -2.438 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.465 -7.617 -4.551 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.623 -6.646 -1.832 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.589 -4.440 -2.299 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.141 -4.760 -3.284 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -1.759 -4.883 -4.015 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -3.057 -6.287 -1.598 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -3.291 -6.839 -3.273 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -2.673 -7.967 -2.043 1.00 10.00 H new ATOM 261 N MET A 429 1.684 -6.905 -3.999 1.00 10.00 N ATOM 262 CA MET A 429 2.880 -6.295 -4.581 1.00 10.00 C ATOM 263 C MET A 429 2.847 -6.409 -6.106 1.00 10.00 C ATOM 264 O MET A 429 3.394 -5.566 -6.817 1.00 10.00 O ATOM 265 CB MET A 429 4.140 -6.969 -4.035 1.00 10.00 C ATOM 266 CG MET A 429 5.365 -6.070 -4.052 1.00 10.00 C ATOM 267 SD MET A 429 6.768 -6.792 -3.180 1.00 10.00 S ATOM 268 CE MET A 429 7.445 -7.859 -4.450 1.00 10.00 C ATOM 0 H MET A 429 1.861 -7.480 -3.175 1.00 10.00 H new ATOM 0 HA MET A 429 2.897 -5.240 -4.307 1.00 10.00 H new ATOM 0 HB2 MET A 429 3.953 -7.296 -3.012 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.347 -7.863 -4.622 1.00 10.00 H new ATOM 0 HG2 MET A 429 5.649 -5.869 -5.085 1.00 10.00 H new ATOM 0 HG3 MET A 429 5.114 -5.112 -3.598 1.00 10.00 H new ATOM 0 HE1 MET A 429 8.322 -8.377 -4.061 1.00 10.00 H new ATOM 0 HE2 MET A 429 6.694 -8.591 -4.749 1.00 10.00 H new ATOM 0 HE3 MET A 429 7.731 -7.260 -5.314 1.00 10.00 H new ATOM 278 N ASN A 430 2.188 -7.459 -6.596 1.00 10.00 N ATOM 279 CA ASN A 430 2.060 -7.696 -8.027 1.00 10.00 C ATOM 280 C ASN A 430 0.594 -7.879 -8.416 1.00 10.00 C ATOM 281 O ASN A 430 0.282 -8.560 -9.393 1.00 10.00 O ATOM 282 CB ASN A 430 2.865 -8.934 -8.424 1.00 10.00 C ATOM 283 CG ASN A 430 4.314 -8.610 -8.727 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.774 -7.491 -8.496 1.00 10.00 O ATOM 285 ND2 ASN A 430 5.044 -9.590 -9.246 1.00 10.00 N ATOM 0 H ASN A 430 1.732 -8.162 -6.014 1.00 10.00 H new ATOM 0 HA ASN A 430 2.451 -6.828 -8.558 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.820 -9.666 -7.618 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.408 -9.395 -9.300 1.00 10.00 H new ATOM 0 HD21 ASN A 430 6.026 -9.431 -9.469 1.00 10.00 H new ATOM 0 HD22 ASN A 430 4.622 -10.502 -9.421 1.00 10.00 H new ATOM 292 N MET A 431 -0.298 -7.265 -7.642 1.00 10.00 N ATOM 293 CA MET A 431 -1.737 -7.347 -7.885 1.00 10.00 C ATOM 294 C MET A 431 -2.518 -6.838 -6.679 1.00 10.00 C ATOM 295 O MET A 431 -3.103 -7.620 -5.929 1.00 10.00 O ATOM 296 CB MET A 431 -2.163 -8.781 -8.186 1.00 10.00 C ATOM 297 CG MET A 431 -2.382 -9.058 -9.664 1.00 10.00 C ATOM 298 SD MET A 431 -1.917 -10.737 -10.132 1.00 10.00 S ATOM 299 CE MET A 431 -3.209 -11.131 -11.308 1.00 10.00 C ATOM 0 H MET A 431 -0.046 -6.699 -6.832 1.00 10.00 H new ATOM 0 HA MET A 431 -1.957 -6.721 -8.750 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.402 -9.463 -7.807 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.084 -8.998 -7.645 1.00 10.00 H new ATOM 0 HG2 MET A 431 -3.431 -8.894 -9.909 1.00 10.00 H new ATOM 0 HG3 MET A 431 -1.802 -8.347 -10.253 1.00 10.00 H new ATOM 0 HE1 MET A 431 -3.059 -12.141 -11.688 1.00 10.00 H new ATOM 0 HE2 MET A 431 -4.180 -11.069 -10.816 1.00 10.00 H new ATOM 0 HE3 MET A 431 -3.176 -10.423 -12.136 1.00 10.00 H new ATOM 309 N TRP A 432 -2.537 -5.528 -6.506 1.00 10.00 N ATOM 310 CA TRP A 432 -3.262 -4.921 -5.401 1.00 10.00 C ATOM 311 C TRP A 432 -4.752 -5.045 -5.645 1.00 10.00 C ATOM 312 O TRP A 432 -5.310 -4.404 -6.537 1.00 10.00 O ATOM 313 CB TRP A 432 -2.866 -3.454 -5.204 1.00 10.00 C ATOM 314 CG TRP A 432 -1.439 -3.131 -5.559 1.00 10.00 C ATOM 315 CD1 TRP A 432 -0.853 -3.257 -6.781 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.419 -2.614 -4.686 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.444 -2.830 -6.731 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.738 -2.435 -5.462 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.370 -2.276 -3.333 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.922 -1.932 -4.937 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.809 -1.782 -2.807 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.940 -1.610 -3.610 1.00 10.00 C ATOM 0 H TRP A 432 -2.060 -4.864 -7.115 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.000 -5.451 -4.485 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.526 -2.830 -5.807 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.036 -3.183 -4.162 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.343 -3.640 -7.664 1.00 10.00 H new ATOM 0 HE1 TRP A 432 1.090 -2.810 -7.520 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.241 -2.399 -2.706 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.797 -1.800 -5.556 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.857 -1.525 -1.759 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.845 -1.215 -3.173 1.00 10.00 H new ATOM 333 N SER A 433 -5.383 -5.895 -4.854 1.00 10.00 N ATOM 334 CA SER A 433 -6.814 -6.143 -4.980 1.00 10.00 C ATOM 335 C SER A 433 -7.625 -4.941 -4.520 1.00 10.00 C ATOM 336 O SER A 433 -7.200 -4.193 -3.641 1.00 10.00 O ATOM 337 CB SER A 433 -7.211 -7.380 -4.172 1.00 10.00 C ATOM 338 OG SER A 433 -8.113 -8.197 -4.898 1.00 10.00 O ATOM 0 H SER A 433 -4.927 -6.429 -4.114 1.00 10.00 H new ATOM 0 HA SER A 433 -7.031 -6.317 -6.034 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.320 -7.954 -3.918 1.00 10.00 H new ATOM 0 HB3 SER A 433 -7.670 -7.072 -3.232 1.00 10.00 H new ATOM 0 HG SER A 433 -8.349 -8.981 -4.360 1.00 10.00 H new ATOM 344 N GLU A 434 -8.804 -4.766 -5.112 1.00 10.00 N ATOM 345 CA GLU A 434 -9.681 -3.658 -4.750 1.00 10.00 C ATOM 346 C GLU A 434 -9.844 -3.587 -3.236 1.00 10.00 C ATOM 347 O GLU A 434 -10.062 -2.515 -2.671 1.00 10.00 O ATOM 348 CB GLU A 434 -11.049 -3.820 -5.417 1.00 10.00 C ATOM 349 CG GLU A 434 -11.068 -3.393 -6.876 1.00 10.00 C ATOM 350 CD GLU A 434 -12.431 -3.568 -7.516 1.00 10.00 C ATOM 351 OE1 GLU A 434 -13.436 -3.584 -6.776 1.00 10.00 O ATOM 352 OE2 GLU A 434 -12.492 -3.691 -8.758 1.00 10.00 O ATOM 0 H GLU A 434 -9.172 -5.376 -5.842 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.228 -2.730 -5.100 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.356 -4.864 -5.348 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.785 -3.234 -4.866 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -10.768 -2.348 -6.949 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -10.332 -3.975 -7.431 1.00 10.00 H new ATOM 359 N GLN A 435 -9.723 -4.741 -2.586 1.00 10.00 N ATOM 360 CA GLN A 435 -9.842 -4.821 -1.139 1.00 10.00 C ATOM 361 C GLN A 435 -8.508 -4.513 -0.472 1.00 10.00 C ATOM 362 O GLN A 435 -8.468 -3.965 0.629 1.00 10.00 O ATOM 363 CB GLN A 435 -10.328 -6.209 -0.720 1.00 10.00 C ATOM 364 CG GLN A 435 -11.129 -6.208 0.573 1.00 10.00 C ATOM 365 CD GLN A 435 -12.624 -6.114 0.335 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.415 -6.771 1.012 1.00 10.00 O ATOM 367 NE2 GLN A 435 -13.020 -5.294 -0.633 1.00 10.00 N ATOM 0 H GLN A 435 -9.542 -5.635 -3.043 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.572 -4.079 -0.816 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -10.942 -6.626 -1.518 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -9.467 -6.867 -0.604 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -10.911 -7.118 1.132 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -10.810 -5.370 1.192 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -12.330 -4.768 -1.170 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -14.014 -5.191 -0.839 1.00 10.00 H new ATOM 376 N GLU A 436 -7.413 -4.854 -1.148 1.00 10.00 N ATOM 377 CA GLU A 436 -6.092 -4.591 -0.613 1.00 10.00 C ATOM 378 C GLU A 436 -5.762 -3.120 -0.799 1.00 10.00 C ATOM 379 O GLU A 436 -5.405 -2.430 0.156 1.00 10.00 O ATOM 380 CB GLU A 436 -5.054 -5.496 -1.285 1.00 10.00 C ATOM 381 CG GLU A 436 -5.540 -6.921 -1.525 1.00 10.00 C ATOM 382 CD GLU A 436 -5.116 -7.871 -0.422 1.00 10.00 C ATOM 383 OE1 GLU A 436 -5.409 -7.582 0.757 1.00 10.00 O ATOM 384 OE2 GLU A 436 -4.490 -8.906 -0.738 1.00 10.00 O ATOM 0 H GLU A 436 -7.420 -5.310 -2.061 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.073 -4.816 0.453 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -4.766 -5.055 -2.239 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.158 -5.528 -0.665 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -6.627 -6.923 -1.604 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -5.151 -7.279 -2.478 1.00 10.00 H new ATOM 391 N LYS A 437 -5.942 -2.627 -2.019 1.00 10.00 N ATOM 392 CA LYS A 437 -5.724 -1.212 -2.308 1.00 10.00 C ATOM 393 C LYS A 437 -6.578 -0.376 -1.369 1.00 10.00 C ATOM 394 O LYS A 437 -6.308 0.794 -1.138 1.00 10.00 O ATOM 395 CB LYS A 437 -6.083 -0.906 -3.765 1.00 10.00 C ATOM 396 CG LYS A 437 -4.980 -0.190 -4.527 1.00 10.00 C ATOM 397 CD LYS A 437 -5.446 0.244 -5.907 1.00 10.00 C ATOM 398 CE LYS A 437 -5.284 -0.873 -6.925 1.00 10.00 C ATOM 399 NZ LYS A 437 -5.988 -0.567 -8.202 1.00 10.00 N ATOM 0 H LYS A 437 -6.237 -3.182 -2.822 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.672 -0.968 -2.157 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -6.319 -1.840 -4.276 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -6.985 -0.294 -3.787 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -4.653 0.683 -3.961 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -4.117 -0.849 -4.624 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -6.492 0.547 -5.861 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -4.876 1.116 -6.228 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -4.224 -1.032 -7.124 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -5.673 -1.802 -6.509 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -5.853 -1.353 -8.870 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -7.003 -0.440 -8.017 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -5.599 0.306 -8.612 1.00 10.00 H new ATOM 413 N GLU A 438 -7.608 -1.004 -0.816 1.00 10.00 N ATOM 414 CA GLU A 438 -8.500 -0.331 0.109 1.00 10.00 C ATOM 415 C GLU A 438 -7.745 0.156 1.337 1.00 10.00 C ATOM 416 O GLU A 438 -8.162 1.112 1.987 1.00 10.00 O ATOM 417 CB GLU A 438 -9.621 -1.274 0.537 1.00 10.00 C ATOM 418 CG GLU A 438 -10.901 -0.560 0.938 1.00 10.00 C ATOM 419 CD GLU A 438 -11.870 -1.466 1.671 1.00 10.00 C ATOM 420 OE1 GLU A 438 -12.493 -2.325 1.013 1.00 10.00 O ATOM 421 OE2 GLU A 438 -12.006 -1.317 2.903 1.00 10.00 O ATOM 0 H GLU A 438 -7.843 -1.980 -0.995 1.00 10.00 H new ATOM 0 HA GLU A 438 -8.927 0.533 -0.401 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -9.839 -1.960 -0.282 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.275 -1.879 1.375 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.654 0.291 1.573 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.385 -0.162 0.046 1.00 10.00 H new ATOM 428 N THR A 439 -6.642 -0.508 1.662 1.00 10.00 N ATOM 429 CA THR A 439 -5.857 -0.126 2.828 1.00 10.00 C ATOM 430 C THR A 439 -4.769 0.886 2.471 1.00 10.00 C ATOM 431 O THR A 439 -4.643 1.923 3.121 1.00 10.00 O ATOM 432 CB THR A 439 -5.242 -1.367 3.477 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.258 -2.269 3.879 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.398 -1.055 4.695 1.00 10.00 C ATOM 0 H THR A 439 -6.275 -1.304 1.141 1.00 10.00 H new ATOM 0 HA THR A 439 -6.528 0.354 3.540 1.00 10.00 H new ATOM 0 HB THR A 439 -4.597 -1.804 2.715 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.258 -3.048 3.285 1.00 10.00 H new ATOM 0 HG21 THR A 439 -3.993 -1.981 5.104 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.578 -0.395 4.410 1.00 10.00 H new ATOM 0 HG23 THR A 439 -5.014 -0.564 5.448 1.00 10.00 H new ATOM 442 N PHE A 440 -3.986 0.586 1.441 1.00 10.00 N ATOM 443 CA PHE A 440 -2.919 1.477 1.015 1.00 10.00 C ATOM 444 C PHE A 440 -3.492 2.694 0.297 1.00 10.00 C ATOM 445 O PHE A 440 -2.921 3.783 0.351 1.00 10.00 O ATOM 446 CB PHE A 440 -1.938 0.742 0.095 1.00 10.00 C ATOM 447 CG PHE A 440 -2.285 -0.685 -0.158 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.184 -1.647 0.832 1.00 10.00 C ATOM 449 CD2 PHE A 440 -2.723 -1.058 -1.403 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.515 -2.956 0.565 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.055 -2.356 -1.674 1.00 10.00 C ATOM 452 CZ PHE A 440 -2.950 -3.302 -0.696 1.00 10.00 C ATOM 0 H PHE A 440 -4.072 -0.267 0.888 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.383 1.813 1.903 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -1.891 1.267 -0.859 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -0.942 0.789 0.534 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.844 -1.369 1.819 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -2.807 -0.314 -2.182 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.434 -3.706 1.338 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.400 -2.632 -2.660 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.209 -4.328 -0.912 1.00 10.00 H new ATOM 462 N ARG A 441 -4.624 2.506 -0.374 1.00 10.00 N ATOM 463 CA ARG A 441 -5.263 3.601 -1.094 1.00 10.00 C ATOM 464 C ARG A 441 -6.074 4.474 -0.141 1.00 10.00 C ATOM 465 O ARG A 441 -6.249 5.669 -0.381 1.00 10.00 O ATOM 466 CB ARG A 441 -6.165 3.075 -2.214 1.00 10.00 C ATOM 467 CG ARG A 441 -6.461 4.107 -3.289 1.00 10.00 C ATOM 468 CD ARG A 441 -7.849 3.914 -3.879 1.00 10.00 C ATOM 469 NE ARG A 441 -8.486 5.188 -4.206 1.00 10.00 N ATOM 470 CZ ARG A 441 -9.787 5.322 -4.458 1.00 10.00 C ATOM 471 NH1 ARG A 441 -10.590 4.266 -4.424 1.00 10.00 N ATOM 472 NH2 ARG A 441 -10.285 6.517 -4.746 1.00 10.00 N ATOM 0 H ARG A 441 -5.114 1.613 -0.434 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.474 4.205 -1.542 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.691 2.208 -2.674 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.105 2.732 -1.782 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -6.380 5.108 -2.866 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -5.715 4.034 -4.080 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -7.779 3.302 -4.778 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -8.472 3.368 -3.170 1.00 10.00 H new ATOM 0 HE ARG A 441 -7.901 6.022 -4.243 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -10.212 3.345 -4.204 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -11.585 4.376 -4.618 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -9.672 7.332 -4.774 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -11.281 6.621 -4.939 1.00 10.00 H new ATOM 486 N GLU A 442 -6.565 3.876 0.946 1.00 10.00 N ATOM 487 CA GLU A 442 -7.350 4.618 1.927 1.00 10.00 C ATOM 488 C GLU A 442 -6.441 5.430 2.839 1.00 10.00 C ATOM 489 O GLU A 442 -6.782 6.544 3.238 1.00 10.00 O ATOM 490 CB GLU A 442 -8.216 3.670 2.760 1.00 10.00 C ATOM 491 CG GLU A 442 -9.016 4.370 3.847 1.00 10.00 C ATOM 492 CD GLU A 442 -10.285 3.623 4.210 1.00 10.00 C ATOM 493 OE1 GLU A 442 -11.019 3.217 3.285 1.00 10.00 O ATOM 494 OE2 GLU A 442 -10.541 3.442 5.418 1.00 10.00 O ATOM 0 H GLU A 442 -6.433 2.889 1.166 1.00 10.00 H new ATOM 0 HA GLU A 442 -8.004 5.301 1.386 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.903 3.143 2.098 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.576 2.917 3.220 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -8.396 4.479 4.737 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -9.273 5.375 3.513 1.00 10.00 H new ATOM 501 N LYS A 443 -5.278 4.874 3.157 1.00 10.00 N ATOM 502 CA LYS A 443 -4.324 5.560 4.009 1.00 10.00 C ATOM 503 C LYS A 443 -3.722 6.738 3.263 1.00 10.00 C ATOM 504 O LYS A 443 -3.539 7.814 3.826 1.00 10.00 O ATOM 505 CB LYS A 443 -3.222 4.601 4.465 1.00 10.00 C ATOM 506 CG LYS A 443 -3.485 3.977 5.826 1.00 10.00 C ATOM 507 CD LYS A 443 -4.391 2.761 5.716 1.00 10.00 C ATOM 508 CE LYS A 443 -4.842 2.278 7.085 1.00 10.00 C ATOM 509 NZ LYS A 443 -3.951 1.212 7.619 1.00 10.00 N ATOM 0 H LYS A 443 -4.977 3.953 2.837 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.845 5.927 4.894 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -3.113 3.808 3.726 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.274 5.139 4.498 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.539 3.687 6.283 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -3.944 4.716 6.483 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -5.263 3.009 5.111 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -3.864 1.958 5.201 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -4.859 3.118 7.779 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -5.862 1.899 7.018 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -3.952 1.247 8.658 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -4.295 0.282 7.304 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -2.983 1.360 7.268 1.00 10.00 H new ATOM 523 N PHE A 444 -3.435 6.536 1.981 1.00 10.00 N ATOM 524 CA PHE A 444 -2.877 7.593 1.157 1.00 10.00 C ATOM 525 C PHE A 444 -3.897 8.704 1.027 1.00 10.00 C ATOM 526 O PHE A 444 -3.549 9.881 0.943 1.00 10.00 O ATOM 527 CB PHE A 444 -2.463 7.045 -0.207 1.00 10.00 C ATOM 528 CG PHE A 444 -1.835 8.070 -1.106 1.00 10.00 C ATOM 529 CD1 PHE A 444 -2.586 9.107 -1.634 1.00 10.00 C ATOM 530 CD2 PHE A 444 -0.490 7.990 -1.420 1.00 10.00 C ATOM 531 CE1 PHE A 444 -2.003 10.049 -2.461 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.099 8.928 -2.247 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.659 9.960 -2.768 1.00 10.00 C ATOM 0 H PHE A 444 -3.580 5.651 1.495 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.979 7.996 1.626 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.761 6.224 -0.061 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -3.340 6.629 -0.703 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.637 9.180 -1.397 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.106 7.186 -1.015 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -2.598 10.854 -2.867 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.150 8.855 -2.486 1.00 10.00 H new ATOM 0 HZ PHE A 444 -0.202 10.695 -3.414 1.00 10.00 H new ATOM 543 N MET A 445 -5.168 8.322 1.076 1.00 10.00 N ATOM 544 CA MET A 445 -6.240 9.291 1.032 1.00 10.00 C ATOM 545 C MET A 445 -6.332 9.957 2.401 1.00 10.00 C ATOM 546 O MET A 445 -6.753 11.106 2.534 1.00 10.00 O ATOM 547 CB MET A 445 -7.568 8.622 0.667 1.00 10.00 C ATOM 548 CG MET A 445 -7.665 8.219 -0.795 1.00 10.00 C ATOM 549 SD MET A 445 -8.487 9.464 -1.806 1.00 10.00 S ATOM 550 CE MET A 445 -10.171 9.323 -1.213 1.00 10.00 C ATOM 0 H MET A 445 -5.474 7.351 1.146 1.00 10.00 H new ATOM 0 HA MET A 445 -6.033 10.037 0.265 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.702 7.737 1.289 1.00 10.00 H new ATOM 0 HB3 MET A 445 -8.385 9.304 0.902 1.00 10.00 H new ATOM 0 HG2 MET A 445 -6.663 8.043 -1.186 1.00 10.00 H new ATOM 0 HG3 MET A 445 -8.208 7.277 -0.873 1.00 10.00 H new ATOM 0 HE1 MET A 445 -10.857 9.697 -1.973 1.00 10.00 H new ATOM 0 HE2 MET A 445 -10.396 8.277 -1.003 1.00 10.00 H new ATOM 0 HE3 MET A 445 -10.286 9.909 -0.301 1.00 10.00 H new ATOM 560 N GLN A 446 -5.899 9.204 3.414 1.00 10.00 N ATOM 561 CA GLN A 446 -5.876 9.662 4.794 1.00 10.00 C ATOM 562 C GLN A 446 -4.732 10.643 5.001 1.00 10.00 C ATOM 563 O GLN A 446 -4.884 11.678 5.650 1.00 10.00 O ATOM 564 CB GLN A 446 -5.679 8.462 5.725 1.00 10.00 C ATOM 565 CG GLN A 446 -6.083 8.729 7.166 1.00 10.00 C ATOM 566 CD GLN A 446 -7.108 7.736 7.678 1.00 10.00 C ATOM 567 OE1 GLN A 446 -8.051 8.105 8.379 1.00 10.00 O ATOM 568 NE2 GLN A 446 -6.929 6.467 7.327 1.00 10.00 N ATOM 0 H GLN A 446 -5.553 8.252 3.293 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.821 10.157 5.018 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.259 7.621 5.345 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.631 8.164 5.701 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -5.198 8.691 7.801 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.489 9.738 7.245 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -6.133 6.206 6.745 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -7.587 5.754 7.640 1.00 10.00 H new ATOM 577 N HIS A 447 -3.583 10.285 4.446 1.00 10.00 N ATOM 578 CA HIS A 447 -2.381 11.092 4.555 1.00 10.00 C ATOM 579 C HIS A 447 -2.201 11.966 3.310 1.00 10.00 C ATOM 580 O HIS A 447 -2.134 11.456 2.193 1.00 10.00 O ATOM 581 CB HIS A 447 -1.181 10.167 4.761 1.00 10.00 C ATOM 582 CG HIS A 447 -1.396 9.180 5.872 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.312 9.528 7.203 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.725 7.858 5.853 1.00 10.00 C ATOM 585 CE1 HIS A 447 -1.577 8.473 7.953 1.00 10.00 C ATOM 586 NE2 HIS A 447 -1.831 7.450 7.160 1.00 10.00 N ATOM 0 H HIS A 447 -3.460 9.427 3.908 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.466 11.762 5.410 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.979 9.628 3.835 1.00 10.00 H new ATOM 0 HB3 HIS A 447 -0.298 10.767 4.979 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.874 7.246 4.976 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -1.584 8.452 9.033 1.00 10.00 H new ATOM 0 HE2 HIS A 447 -2.068 6.507 7.468 1.00 10.00 H new ATOM 595 N PRO A 448 -2.137 13.300 3.485 1.00 10.00 N ATOM 596 CA PRO A 448 -1.987 14.244 2.369 1.00 10.00 C ATOM 597 C PRO A 448 -0.717 14.015 1.553 1.00 10.00 C ATOM 598 O PRO A 448 0.334 14.578 1.854 1.00 10.00 O ATOM 599 CB PRO A 448 -1.940 15.618 3.051 1.00 10.00 C ATOM 600 CG PRO A 448 -1.619 15.338 4.477 1.00 10.00 C ATOM 601 CD PRO A 448 -2.223 13.998 4.780 1.00 10.00 C ATOM 0 HA PRO A 448 -2.801 14.134 1.652 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -1.184 16.257 2.596 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -2.894 16.137 2.957 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -0.541 15.326 4.640 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -2.031 16.108 5.129 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -1.671 13.473 5.560 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.254 14.087 5.124 1.00 10.00 H new ATOM 609 N LYS A 449 -0.837 13.199 0.505 1.00 10.00 N ATOM 610 CA LYS A 449 0.285 12.895 -0.387 1.00 10.00 C ATOM 611 C LYS A 449 1.589 12.688 0.379 1.00 10.00 C ATOM 612 O LYS A 449 2.262 13.650 0.752 1.00 10.00 O ATOM 613 CB LYS A 449 0.461 14.018 -1.411 1.00 10.00 C ATOM 614 CG LYS A 449 0.990 13.541 -2.753 1.00 10.00 C ATOM 615 CD LYS A 449 1.104 14.684 -3.747 1.00 10.00 C ATOM 616 CE LYS A 449 1.906 14.280 -4.972 1.00 10.00 C ATOM 617 NZ LYS A 449 3.353 14.595 -4.818 1.00 10.00 N ATOM 0 H LYS A 449 -1.708 12.733 0.251 1.00 10.00 H new ATOM 0 HA LYS A 449 0.049 11.962 -0.898 1.00 10.00 H new ATOM 0 HB2 LYS A 449 -0.498 14.513 -1.563 1.00 10.00 H new ATOM 0 HB3 LYS A 449 1.144 14.764 -1.005 1.00 10.00 H new ATOM 0 HG2 LYS A 449 1.967 13.078 -2.616 1.00 10.00 H new ATOM 0 HG3 LYS A 449 0.328 12.774 -3.154 1.00 10.00 H new ATOM 0 HD2 LYS A 449 0.107 15.002 -4.052 1.00 10.00 H new ATOM 0 HD3 LYS A 449 1.579 15.539 -3.266 1.00 10.00 H new ATOM 0 HE2 LYS A 449 1.784 13.211 -5.149 1.00 10.00 H new ATOM 0 HE3 LYS A 449 1.514 14.795 -5.849 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 3.865 14.304 -5.675 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 3.472 15.618 -4.674 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 3.734 14.083 -3.997 1.00 10.00 H new ATOM 631 N ASN A 450 1.948 11.429 0.600 1.00 10.00 N ATOM 632 CA ASN A 450 3.177 11.103 1.313 1.00 10.00 C ATOM 633 C ASN A 450 3.848 9.873 0.715 1.00 10.00 C ATOM 634 O ASN A 450 4.964 9.948 0.202 1.00 10.00 O ATOM 635 CB ASN A 450 2.897 10.877 2.804 1.00 10.00 C ATOM 636 CG ASN A 450 1.562 10.199 3.061 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.524 10.636 2.565 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.584 9.127 3.845 1.00 10.00 N ATOM 0 H ASN A 450 1.407 10.619 0.297 1.00 10.00 H new ATOM 0 HA ASN A 450 3.855 11.950 1.208 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.695 10.269 3.230 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.917 11.836 3.321 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.718 8.632 4.057 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.467 8.799 4.235 1.00 10.00 H new ATOM 645 N PHE A 451 3.160 8.739 0.792 1.00 10.00 N ATOM 646 CA PHE A 451 3.679 7.477 0.268 1.00 10.00 C ATOM 647 C PHE A 451 4.739 6.880 1.196 1.00 10.00 C ATOM 648 O PHE A 451 5.201 5.760 0.982 1.00 10.00 O ATOM 649 CB PHE A 451 4.250 7.670 -1.142 1.00 10.00 C ATOM 650 CG PHE A 451 3.675 6.727 -2.164 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.332 6.396 -2.132 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.473 6.179 -3.156 1.00 10.00 C ATOM 653 CE1 PHE A 451 1.791 5.536 -3.067 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.939 5.317 -4.095 1.00 10.00 C ATOM 655 CZ PHE A 451 2.595 4.995 -4.050 1.00 10.00 C ATOM 0 H PHE A 451 2.235 8.666 1.215 1.00 10.00 H new ATOM 0 HA PHE A 451 2.847 6.775 0.215 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.064 8.695 -1.462 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.331 7.538 -1.107 1.00 10.00 H new ATOM 0 HD1 PHE A 451 1.698 6.816 -1.365 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.523 6.428 -3.196 1.00 10.00 H new ATOM 0 HE1 PHE A 451 0.741 5.287 -3.029 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.571 4.895 -4.863 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.175 4.322 -4.783 1.00 10.00 H new ATOM 665 N GLY A 452 5.109 7.627 2.234 1.00 10.00 N ATOM 666 CA GLY A 452 6.092 7.145 3.184 1.00 10.00 C ATOM 667 C GLY A 452 5.454 6.298 4.261 1.00 10.00 C ATOM 668 O GLY A 452 6.059 5.349 4.759 1.00 10.00 O ATOM 0 H GLY A 452 4.744 8.558 2.432 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.849 6.560 2.661 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.603 7.992 3.641 1.00 10.00 H new ATOM 672 N LEU A 453 4.215 6.637 4.612 1.00 10.00 N ATOM 673 CA LEU A 453 3.481 5.895 5.626 1.00 10.00 C ATOM 674 C LEU A 453 2.867 4.644 5.022 1.00 10.00 C ATOM 675 O LEU A 453 3.069 3.538 5.521 1.00 10.00 O ATOM 676 CB LEU A 453 2.384 6.757 6.251 1.00 10.00 C ATOM 677 CG LEU A 453 1.351 5.981 7.074 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.839 6.826 8.226 1.00 10.00 C ATOM 679 CD2 LEU A 453 0.203 5.513 6.187 1.00 10.00 C ATOM 0 H LEU A 453 3.702 7.420 4.208 1.00 10.00 H new ATOM 0 HA LEU A 453 4.185 5.610 6.408 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.850 7.506 6.891 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.866 7.294 5.457 1.00 10.00 H new ATOM 0 HG LEU A 453 1.836 5.100 7.494 1.00 10.00 H new ATOM 0 HD11 LEU A 453 0.106 6.256 8.798 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.671 7.100 8.874 1.00 10.00 H new ATOM 0 HD13 LEU A 453 0.371 7.729 7.835 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.521 4.964 6.789 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.283 6.377 5.734 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.591 4.863 5.403 1.00 10.00 H new ATOM 691 N ILE A 454 2.116 4.826 3.943 1.00 10.00 N ATOM 692 CA ILE A 454 1.478 3.708 3.275 1.00 10.00 C ATOM 693 C ILE A 454 2.509 2.675 2.876 1.00 10.00 C ATOM 694 O ILE A 454 2.258 1.482 2.951 1.00 10.00 O ATOM 695 CB ILE A 454 0.675 4.177 2.055 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.661 4.699 2.538 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.486 3.061 1.033 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.665 6.200 2.699 1.00 10.00 C ATOM 0 H ILE A 454 1.937 5.735 3.516 1.00 10.00 H new ATOM 0 HA ILE A 454 0.780 3.248 3.974 1.00 10.00 H new ATOM 0 HB ILE A 454 1.227 4.968 1.548 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.439 4.409 1.831 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.907 4.233 3.492 1.00 10.00 H new ATOM 0 HG21 ILE A 454 -0.088 3.437 0.186 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.460 2.716 0.687 1.00 10.00 H new ATOM 0 HG23 ILE A 454 -0.050 2.232 1.495 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.645 6.526 3.047 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.093 6.490 3.426 1.00 10.00 H new ATOM 0 HD13 ILE A 454 -0.446 6.669 1.740 1.00 10.00 H new ATOM 710 N ALA A 455 3.684 3.148 2.495 1.00 10.00 N ATOM 711 CA ALA A 455 4.771 2.258 2.130 1.00 10.00 C ATOM 712 C ALA A 455 5.537 1.832 3.379 1.00 10.00 C ATOM 713 O ALA A 455 6.635 1.282 3.289 1.00 10.00 O ATOM 714 CB ALA A 455 5.705 2.938 1.144 1.00 10.00 C ATOM 0 H ALA A 455 3.908 4.141 2.431 1.00 10.00 H new ATOM 0 HA ALA A 455 4.354 1.371 1.653 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.514 2.257 0.881 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.151 3.208 0.245 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.121 3.838 1.598 1.00 10.00 H new ATOM 720 N SER A 456 4.950 2.100 4.547 1.00 10.00 N ATOM 721 CA SER A 456 5.579 1.756 5.814 1.00 10.00 C ATOM 722 C SER A 456 4.712 0.799 6.626 1.00 10.00 C ATOM 723 O SER A 456 5.233 -0.042 7.358 1.00 10.00 O ATOM 724 CB SER A 456 5.858 3.022 6.628 1.00 10.00 C ATOM 725 OG SER A 456 6.372 2.702 7.909 1.00 10.00 O ATOM 0 H SER A 456 4.041 2.554 4.637 1.00 10.00 H new ATOM 0 HA SER A 456 6.521 1.254 5.591 1.00 10.00 H new ATOM 0 HB2 SER A 456 6.570 3.652 6.094 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.939 3.599 6.735 1.00 10.00 H new ATOM 0 HG SER A 456 6.543 3.528 8.408 1.00 10.00 H new ATOM 731 N PHE A 457 3.390 0.921 6.504 1.00 10.00 N ATOM 732 CA PHE A 457 2.492 0.043 7.247 1.00 10.00 C ATOM 733 C PHE A 457 2.387 -1.324 6.570 1.00 10.00 C ATOM 734 O PHE A 457 2.040 -2.318 7.209 1.00 10.00 O ATOM 735 CB PHE A 457 1.107 0.693 7.423 1.00 10.00 C ATOM 736 CG PHE A 457 0.191 0.553 6.238 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.320 -0.687 5.885 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.158 1.660 5.477 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.155 -0.823 4.798 1.00 10.00 C ATOM 740 CE2 PHE A 457 -0.997 1.528 4.389 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.494 0.288 4.047 1.00 10.00 C ATOM 0 H PHE A 457 2.925 1.607 5.909 1.00 10.00 H new ATOM 0 HA PHE A 457 2.911 -0.111 8.242 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.622 0.252 8.294 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.243 1.753 7.637 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.060 -1.557 6.470 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.230 2.633 5.738 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.544 -1.795 4.533 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.264 2.396 3.805 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.147 0.184 3.193 1.00 10.00 H new ATOM 751 N LEU A 458 2.699 -1.370 5.276 1.00 10.00 N ATOM 752 CA LEU A 458 2.652 -2.618 4.516 1.00 10.00 C ATOM 753 C LEU A 458 4.045 -2.983 4.010 1.00 10.00 C ATOM 754 O LEU A 458 4.216 -3.357 2.855 1.00 10.00 O ATOM 755 CB LEU A 458 1.669 -2.499 3.346 1.00 10.00 C ATOM 756 CG LEU A 458 1.621 -1.123 2.686 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.983 -0.772 2.111 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.545 -1.074 1.603 1.00 10.00 C ATOM 0 H LEU A 458 2.987 -0.557 4.732 1.00 10.00 H new ATOM 0 HA LEU A 458 2.304 -3.412 5.176 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.934 -3.239 2.591 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.670 -2.750 3.702 1.00 10.00 H new ATOM 0 HG LEU A 458 1.362 -0.384 3.445 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.938 0.211 1.643 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.723 -0.759 2.911 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.266 -1.516 1.366 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.531 -0.083 1.148 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.763 -1.821 0.839 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.428 -1.283 2.047 1.00 10.00 H new ATOM 770 N GLU A 459 5.022 -2.859 4.910 1.00 10.00 N ATOM 771 CA GLU A 459 6.444 -3.151 4.649 1.00 10.00 C ATOM 772 C GLU A 459 6.704 -3.811 3.293 1.00 10.00 C ATOM 773 O GLU A 459 7.500 -3.310 2.499 1.00 10.00 O ATOM 774 CB GLU A 459 7.000 -4.042 5.761 1.00 10.00 C ATOM 775 CG GLU A 459 8.494 -3.875 5.984 1.00 10.00 C ATOM 776 CD GLU A 459 8.839 -2.566 6.667 1.00 10.00 C ATOM 777 OE1 GLU A 459 8.205 -2.249 7.697 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.742 -1.858 6.174 1.00 10.00 O ATOM 0 H GLU A 459 4.849 -2.546 5.865 1.00 10.00 H new ATOM 0 HA GLU A 459 6.953 -2.187 4.628 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.475 -3.819 6.690 1.00 10.00 H new ATOM 0 HB3 GLU A 459 6.791 -5.084 5.519 1.00 10.00 H new ATOM 0 HG2 GLU A 459 8.862 -4.704 6.588 1.00 10.00 H new ATOM 0 HG3 GLU A 459 9.009 -3.927 5.025 1.00 10.00 H new ATOM 785 N ARG A 460 6.040 -4.936 3.035 1.00 10.00 N ATOM 786 CA ARG A 460 6.211 -5.662 1.775 1.00 10.00 C ATOM 787 C ARG A 460 6.223 -4.706 0.584 1.00 10.00 C ATOM 788 O ARG A 460 6.846 -4.980 -0.440 1.00 10.00 O ATOM 789 CB ARG A 460 5.098 -6.695 1.602 1.00 10.00 C ATOM 790 CG ARG A 460 5.291 -7.601 0.396 1.00 10.00 C ATOM 791 CD ARG A 460 6.079 -8.849 0.759 1.00 10.00 C ATOM 792 NE ARG A 460 7.484 -8.553 1.025 1.00 10.00 N ATOM 793 CZ ARG A 460 8.306 -9.375 1.673 1.00 10.00 C ATOM 794 NH1 ARG A 460 7.868 -10.545 2.120 1.00 10.00 N ATOM 795 NH2 ARG A 460 9.569 -9.027 1.874 1.00 10.00 N ATOM 0 H ARG A 460 5.378 -5.366 3.681 1.00 10.00 H new ATOM 0 HA ARG A 460 7.172 -6.174 1.812 1.00 10.00 H new ATOM 0 HB2 ARG A 460 5.040 -7.308 2.501 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.144 -6.177 1.508 1.00 10.00 H new ATOM 0 HG2 ARG A 460 4.319 -7.887 -0.005 1.00 10.00 H new ATOM 0 HG3 ARG A 460 5.813 -7.056 -0.391 1.00 10.00 H new ATOM 0 HD2 ARG A 460 5.634 -9.315 1.638 1.00 10.00 H new ATOM 0 HD3 ARG A 460 6.009 -9.571 -0.054 1.00 10.00 H new ATOM 0 HE ARG A 460 7.858 -7.663 0.694 1.00 10.00 H new ATOM 0 HH11 ARG A 460 6.897 -10.818 1.968 1.00 10.00 H new ATOM 0 HH12 ARG A 460 8.502 -11.171 2.616 1.00 10.00 H new ATOM 0 HH21 ARG A 460 9.911 -8.129 1.532 1.00 10.00 H new ATOM 0 HH22 ARG A 460 10.199 -9.657 2.371 1.00 10.00 H new ATOM 809 N LYS A 461 5.533 -3.581 0.736 1.00 10.00 N ATOM 810 CA LYS A 461 5.464 -2.576 -0.320 1.00 10.00 C ATOM 811 C LYS A 461 6.280 -1.344 0.061 1.00 10.00 C ATOM 812 O LYS A 461 6.002 -0.691 1.065 1.00 10.00 O ATOM 813 CB LYS A 461 4.012 -2.163 -0.603 1.00 10.00 C ATOM 814 CG LYS A 461 2.961 -3.142 -0.095 1.00 10.00 C ATOM 815 CD LYS A 461 2.531 -4.103 -1.191 1.00 10.00 C ATOM 816 CE LYS A 461 3.317 -5.402 -1.139 1.00 10.00 C ATOM 817 NZ LYS A 461 2.427 -6.585 -0.976 1.00 10.00 N ATOM 0 H LYS A 461 5.013 -3.341 1.580 1.00 10.00 H new ATOM 0 HA LYS A 461 5.880 -3.020 -1.224 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.831 -1.189 -0.149 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.886 -2.042 -1.679 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.361 -3.704 0.749 1.00 10.00 H new ATOM 0 HG3 LYS A 461 2.094 -2.592 0.271 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.467 -4.317 -1.090 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.671 -3.632 -2.164 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.900 -5.510 -2.054 1.00 10.00 H new ATOM 0 HE3 LYS A 461 4.026 -5.364 -0.312 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 2.906 -7.433 -1.341 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 2.207 -6.718 0.032 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 1.545 -6.431 -1.505 1.00 10.00 H new ATOM 831 N THR A 462 7.283 -1.032 -0.751 1.00 10.00 N ATOM 832 CA THR A 462 8.135 0.126 -0.500 1.00 10.00 C ATOM 833 C THR A 462 7.555 1.370 -1.165 1.00 10.00 C ATOM 834 O THR A 462 6.652 1.273 -1.994 1.00 10.00 O ATOM 835 CB THR A 462 9.556 -0.132 -1.010 1.00 10.00 C ATOM 836 OG1 THR A 462 9.619 -1.348 -1.734 1.00 10.00 O ATOM 837 CG2 THR A 462 10.584 -0.205 0.097 1.00 10.00 C ATOM 0 H THR A 462 7.527 -1.563 -1.587 1.00 10.00 H new ATOM 0 HA THR A 462 8.177 0.293 0.576 1.00 10.00 H new ATOM 0 HB THR A 462 9.791 0.719 -1.649 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.535 -1.492 -2.052 1.00 10.00 H new ATOM 0 HG21 THR A 462 11.569 -0.390 -0.332 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.598 0.738 0.644 1.00 10.00 H new ATOM 0 HG23 THR A 462 10.328 -1.016 0.779 1.00 10.00 H new ATOM 845 N VAL A 463 8.074 2.538 -0.800 1.00 10.00 N ATOM 846 CA VAL A 463 7.594 3.790 -1.373 1.00 10.00 C ATOM 847 C VAL A 463 7.765 3.791 -2.887 1.00 10.00 C ATOM 848 O VAL A 463 6.948 4.353 -3.616 1.00 10.00 O ATOM 849 CB VAL A 463 8.325 5.008 -0.772 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.718 6.307 -1.282 1.00 10.00 C ATOM 851 CG2 VAL A 463 8.282 4.959 0.748 1.00 10.00 C ATOM 0 H VAL A 463 8.822 2.644 -0.115 1.00 10.00 H new ATOM 0 HA VAL A 463 6.535 3.869 -1.129 1.00 10.00 H new ATOM 0 HB VAL A 463 9.367 4.971 -1.089 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.249 7.153 -0.845 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.803 6.347 -2.368 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.667 6.353 -0.999 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.803 5.826 1.155 1.00 10.00 H new ATOM 0 HG22 VAL A 463 7.245 4.968 1.083 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.768 4.048 1.097 1.00 10.00 H new ATOM 861 N ALA A 464 8.825 3.140 -3.355 1.00 10.00 N ATOM 862 CA ALA A 464 9.095 3.046 -4.782 1.00 10.00 C ATOM 863 C ALA A 464 8.296 1.905 -5.398 1.00 10.00 C ATOM 864 O ALA A 464 7.921 1.954 -6.571 1.00 10.00 O ATOM 865 CB ALA A 464 10.583 2.851 -5.031 1.00 10.00 C ATOM 0 H ALA A 464 9.511 2.670 -2.764 1.00 10.00 H new ATOM 0 HA ALA A 464 8.787 3.979 -5.255 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.767 2.783 -6.103 1.00 10.00 H new ATOM 0 HB2 ALA A 464 11.134 3.697 -4.622 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.916 1.933 -4.547 1.00 10.00 H new ATOM 871 N GLU A 465 8.030 0.881 -4.593 1.00 10.00 N ATOM 872 CA GLU A 465 7.265 -0.273 -5.048 1.00 10.00 C ATOM 873 C GLU A 465 5.772 0.042 -5.043 1.00 10.00 C ATOM 874 O GLU A 465 5.008 -0.515 -5.832 1.00 10.00 O ATOM 875 CB GLU A 465 7.548 -1.485 -4.161 1.00 10.00 C ATOM 876 CG GLU A 465 7.605 -2.798 -4.926 1.00 10.00 C ATOM 877 CD GLU A 465 8.765 -2.856 -5.899 1.00 10.00 C ATOM 878 OE1 GLU A 465 9.861 -2.369 -5.547 1.00 10.00 O ATOM 879 OE2 GLU A 465 8.580 -3.389 -7.014 1.00 10.00 O ATOM 0 H GLU A 465 8.334 0.828 -3.621 1.00 10.00 H new ATOM 0 HA GLU A 465 7.571 -0.507 -6.068 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.496 -1.333 -3.644 1.00 10.00 H new ATOM 0 HB3 GLU A 465 6.775 -1.553 -3.396 1.00 10.00 H new ATOM 0 HG2 GLU A 465 7.688 -3.623 -4.218 1.00 10.00 H new ATOM 0 HG3 GLU A 465 6.671 -2.938 -5.471 1.00 10.00 H new ATOM 886 N CYS A 466 5.363 0.945 -4.155 1.00 10.00 N ATOM 887 CA CYS A 466 3.965 1.338 -4.059 1.00 10.00 C ATOM 888 C CYS A 466 3.511 1.990 -5.359 1.00 10.00 C ATOM 889 O CYS A 466 2.328 1.971 -5.696 1.00 10.00 O ATOM 890 CB CYS A 466 3.753 2.291 -2.882 1.00 10.00 C ATOM 891 SG CYS A 466 3.800 1.485 -1.265 1.00 10.00 S ATOM 0 H CYS A 466 5.981 1.416 -3.494 1.00 10.00 H new ATOM 0 HA CYS A 466 3.365 0.444 -3.888 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.519 3.066 -2.913 1.00 10.00 H new ATOM 0 HB3 CYS A 466 2.791 2.789 -3.000 1.00 10.00 H new ATOM 0 HG CYS A 466 5.023 1.147 -0.984 1.00 10.00 H new ATOM 897 N VAL A 467 4.468 2.549 -6.099 1.00 10.00 N ATOM 898 CA VAL A 467 4.170 3.181 -7.375 1.00 10.00 C ATOM 899 C VAL A 467 3.523 2.176 -8.326 1.00 10.00 C ATOM 900 O VAL A 467 2.888 2.553 -9.309 1.00 10.00 O ATOM 901 CB VAL A 467 5.445 3.761 -8.026 1.00 10.00 C ATOM 902 CG1 VAL A 467 5.148 4.301 -9.418 1.00 10.00 C ATOM 903 CG2 VAL A 467 6.042 4.847 -7.145 1.00 10.00 C ATOM 0 H VAL A 467 5.453 2.575 -5.834 1.00 10.00 H new ATOM 0 HA VAL A 467 3.477 4.000 -7.184 1.00 10.00 H new ATOM 0 HB VAL A 467 6.174 2.956 -8.126 1.00 10.00 H new ATOM 0 HG11 VAL A 467 6.062 4.704 -9.855 1.00 10.00 H new ATOM 0 HG12 VAL A 467 4.769 3.496 -10.047 1.00 10.00 H new ATOM 0 HG13 VAL A 467 4.400 5.091 -9.350 1.00 10.00 H new ATOM 0 HG21 VAL A 467 6.940 5.246 -7.617 1.00 10.00 H new ATOM 0 HG22 VAL A 467 5.315 5.648 -7.012 1.00 10.00 H new ATOM 0 HG23 VAL A 467 6.300 4.426 -6.173 1.00 10.00 H new ATOM 913 N LEU A 468 3.681 0.890 -8.018 1.00 10.00 N ATOM 914 CA LEU A 468 3.107 -0.168 -8.835 1.00 10.00 C ATOM 915 C LEU A 468 1.609 -0.326 -8.564 1.00 10.00 C ATOM 916 O LEU A 468 0.958 -1.189 -9.148 1.00 10.00 O ATOM 917 CB LEU A 468 3.835 -1.488 -8.572 1.00 10.00 C ATOM 918 CG LEU A 468 4.413 -2.167 -9.815 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.588 -1.370 -10.360 1.00 10.00 C ATOM 920 CD2 LEU A 468 4.837 -3.593 -9.493 1.00 10.00 C ATOM 0 H LEU A 468 4.203 0.559 -7.207 1.00 10.00 H new ATOM 0 HA LEU A 468 3.232 0.106 -9.882 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.646 -1.304 -7.867 1.00 10.00 H new ATOM 0 HB3 LEU A 468 3.143 -2.177 -8.089 1.00 10.00 H new ATOM 0 HG LEU A 468 3.638 -2.203 -10.581 1.00 10.00 H new ATOM 0 HD11 LEU A 468 5.987 -1.868 -11.244 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.255 -0.367 -10.627 1.00 10.00 H new ATOM 0 HD13 LEU A 468 6.366 -1.303 -9.600 1.00 10.00 H new ATOM 0 HD21 LEU A 468 5.246 -4.062 -10.388 1.00 10.00 H new ATOM 0 HD22 LEU A 468 5.597 -3.579 -8.711 1.00 10.00 H new ATOM 0 HD23 LEU A 468 3.973 -4.161 -9.149 1.00 10.00 H new ATOM 932 N TYR A 469 1.075 0.514 -7.679 1.00 10.00 N ATOM 933 CA TYR A 469 -0.340 0.486 -7.331 1.00 10.00 C ATOM 934 C TYR A 469 -1.004 1.829 -7.648 1.00 10.00 C ATOM 935 O TYR A 469 -2.225 1.957 -7.582 1.00 10.00 O ATOM 936 CB TYR A 469 -0.505 0.118 -5.843 1.00 10.00 C ATOM 937 CG TYR A 469 -1.100 1.178 -4.936 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.680 2.499 -4.998 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.075 0.844 -3.998 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.210 3.459 -4.160 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.610 1.799 -3.159 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.175 3.106 -3.246 1.00 10.00 C ATOM 943 OH TYR A 469 -2.699 4.061 -2.410 1.00 10.00 O ATOM 0 H TYR A 469 1.610 1.229 -7.186 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.838 -0.275 -7.932 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.131 -0.772 -5.781 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.475 -0.154 -5.450 1.00 10.00 H new ATOM 0 HD1 TYR A 469 0.076 2.781 -5.716 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.417 -0.178 -3.927 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -0.869 4.482 -4.222 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.366 1.525 -2.437 1.00 10.00 H new ATOM 0 HH TYR A 469 -3.120 4.767 -2.943 1.00 10.00 H new ATOM 953 N TYR A 470 -0.185 2.836 -7.966 1.00 10.00 N ATOM 954 CA TYR A 470 -0.689 4.170 -8.258 1.00 10.00 C ATOM 955 C TYR A 470 -0.950 4.366 -9.750 1.00 10.00 C ATOM 956 O TYR A 470 -1.826 5.143 -10.128 1.00 10.00 O ATOM 957 CB TYR A 470 0.289 5.229 -7.717 1.00 10.00 C ATOM 958 CG TYR A 470 0.980 6.069 -8.774 1.00 10.00 C ATOM 959 CD1 TYR A 470 1.788 5.482 -9.739 1.00 10.00 C ATOM 960 CD2 TYR A 470 0.828 7.449 -8.799 1.00 10.00 C ATOM 961 CE1 TYR A 470 2.424 6.244 -10.698 1.00 10.00 C ATOM 962 CE2 TYR A 470 1.460 8.220 -9.756 1.00 10.00 C ATOM 963 CZ TYR A 470 2.257 7.613 -10.704 1.00 10.00 C ATOM 964 OH TYR A 470 2.889 8.376 -11.658 1.00 10.00 O ATOM 0 H TYR A 470 0.829 2.747 -8.026 1.00 10.00 H new ATOM 0 HA TYR A 470 -1.649 4.289 -7.755 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -0.255 5.894 -7.046 1.00 10.00 H new ATOM 0 HB3 TYR A 470 1.050 4.726 -7.120 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.921 4.410 -9.739 1.00 10.00 H new ATOM 0 HD2 TYR A 470 0.205 7.928 -8.058 1.00 10.00 H new ATOM 0 HE1 TYR A 470 3.050 5.770 -11.440 1.00 10.00 H new ATOM 0 HE2 TYR A 470 1.331 9.292 -9.762 1.00 10.00 H new ATOM 0 HH TYR A 470 2.666 9.320 -11.522 1.00 10.00 H new ATOM 974 N TYR A 471 -0.195 3.672 -10.599 1.00 10.00 N ATOM 975 CA TYR A 471 -0.384 3.812 -12.039 1.00 10.00 C ATOM 976 C TYR A 471 -1.613 3.044 -12.516 1.00 10.00 C ATOM 977 O TYR A 471 -2.004 3.144 -13.679 1.00 10.00 O ATOM 978 CB TYR A 471 0.871 3.378 -12.809 1.00 10.00 C ATOM 979 CG TYR A 471 1.114 1.883 -12.847 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.289 1.036 -13.579 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.187 1.321 -12.165 1.00 10.00 C ATOM 982 CE1 TYR A 471 0.523 -0.325 -13.625 1.00 10.00 C ATOM 983 CE2 TYR A 471 2.429 -0.040 -12.210 1.00 10.00 C ATOM 984 CZ TYR A 471 1.594 -0.858 -12.940 1.00 10.00 C ATOM 985 OH TYR A 471 1.831 -2.211 -12.987 1.00 10.00 O ATOM 0 H TYR A 471 0.539 3.020 -10.322 1.00 10.00 H new ATOM 0 HA TYR A 471 -0.554 4.869 -12.246 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.796 3.745 -13.833 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.739 3.861 -12.360 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.549 1.449 -14.121 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.843 1.958 -11.590 1.00 10.00 H new ATOM 0 HE1 TYR A 471 -0.130 -0.969 -14.195 1.00 10.00 H new ATOM 0 HE2 TYR A 471 3.268 -0.460 -11.676 1.00 10.00 H new ATOM 0 HH TYR A 471 2.737 -2.396 -12.663 1.00 10.00 H new